3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide

C21H21FN4O — CID 139323711

IUPAC3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc(NCC(C)c3ccc(F)cc3)nn2)c1
InChIInChI=1S/C21H21FN4O/c1-14(15-6-8-18(22)9-7-15)13-24-20-11-10-19(25-26-20)16-4-3-5-17(12-16)21(27)23-2/h3-12,14H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQLLKKUSUDYOPKK-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.86
Rot. Bonds6

About 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide

3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide (PubChem CID 139323711) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide
PubChem CID139323711
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc(NCC(C)c3ccc(F)cc3)nn2)c1
InChIInChI=1S/C21H21FN4O/c1-14(15-6-8-18(22)9-7-15)13-24-20-11-10-19(25-26-20)16-4-3-5-17(12-16)21(27)23-2/h3-12,14H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQLLKKUSUDYOPKK-UHFFFAOYSA-N
XLogP3.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide
CID 139323789
3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide
CID 139324046
[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol
CID 139323710
3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide
CID 139323754
[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol
CID 139323753
tert-butyl N-[2-[[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-1H-indazol-3-yl]amino]ethyl]carbamate
CID 139323915
3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-N-[2-[3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-N-formylanilino]ethyl]benzamide
CID 118498113
6-(2-phenylpropylamino)pyridazine-3-carboxamide
CID 112695970
3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
CID 50815961
3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide
CID 161241220
3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile
CID 139323938
6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
CID 133339227

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide?
The IUPAC name of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide (CID 139323711) is 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide?
The canonical SMILES for 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc(NCC(C)c3ccc(F)cc3)nn2)c1.
What is the InChIKey of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide?
The InChIKey is QLLKKUSUDYOPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(15-6-8-18(22)9-7-15)13-24-20-11-10-19(25-26-20)16-4-3-5-17(12-16)21(27)23-2/h3-12,14H,13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide?
3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 139323711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).